! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
S   -0.7984617316   0.6944653672  -1.6671972725
O   -2.7125764133  -0.0473694957   1.4860647138
N   -1.7369636720  -0.1992170900  -0.5760789311
C    1.1400798256  -1.2592345536   0.6324427093
C    0.4811348068  -2.3181265051  -0.2466387386
C    2.6121386787  -1.0516131266   0.3010766324
C   -1.0115262146  -2.5282253688   0.0153046818
C    3.3095251552  -0.0281254065   1.1947138835
C   -1.9507655905  -1.6259579561  -0.7738375711
C    2.7321703471   1.3852582537   1.1380841550
C    2.7882728639   2.0176282216  -0.2448689096
C   -2.0591839581   0.4639956684   0.5779593779
C   -1.5150261843   1.8101211236   0.5136283061
C   -0.8274443745   2.0448359718  -0.6169141758
H    1.0409174760  -1.5565934602   1.6827922132
H    0.6135012571  -0.3062834128   0.5438622176
H    1.0000997931  -3.2663292115  -0.0810236590
H    0.6429431071  -2.0774849163  -1.3036391786
H    2.7075417240  -0.7584752134  -0.7498708891
H    3.1370252432  -2.0084247036   0.3891800724
H   -1.2207726345  -2.4353759595   1.0841546982
H   -1.2914344380  -3.5488086888  -0.2571581160
H    4.3693499160   0.0137507918   0.9236504439
H    3.2779986731  -0.3822833273   2.2300812753
H   -2.9869818729  -1.8444899997  -0.5145787854
H   -1.8551902309  -1.8286564732  -1.8412229866
H    1.6984806302   1.3847813303   1.4964520801
H    3.2864579893   2.0138824444   1.8404345532
H    2.1899050477   1.4661879044  -0.9720518015
H    2.4117726795   3.0416649624  -0.2268436563
H    3.8126367396   2.0516257701  -0.6235115650
H   -1.6557479273   2.5305727675   1.3051874859
H   -0.3358991527   2.9605240535  -0.9116214309
*